1-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid

C15H25NO4 — CID 84812701

IUPAC1-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N(CCC1(C(=O)O)CC1)C1CCC1
InChIInChI=1S/C15H25NO4/c1-14(2,3)20-13(19)16(11-5-4-6-11)10-9-15(7-8-15)12(17)18/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyFQLCNOHLIUXFKG-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.03
Rot. Bonds5

About 1-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid

1-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid (PubChem CID 84812701) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid
PubChem CID84812701
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N(CCC1(C(=O)O)CC1)C1CCC1
InChIInChI=1S/C15H25NO4/c1-14(2,3)20-13(19)16(11-5-4-6-11)10-9-15(7-8-15)12(17)18/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyFQLCNOHLIUXFKG-UHFFFAOYSA-N
XLogP3.03
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

1-[2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid
CID 84813407
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
4-[[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 166513792
2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 22476048
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
tert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate
CID 50986378
ethyl 3-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 22397343
tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429
tert-butyl N-cyclohexyl-N-[2-(trioxidanylsulfanyl)ethyl]carbamate
CID 58676250
tert-butyl N-(2-aminoethyl)-N-(2-methylcyclohexyl)carbamate
CID 50987788
tert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate
CID 50987781
4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid
CID 91152983

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid (CID 84812701) is 1-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid is CC(C)(C)OC(=O)N(CCC1(C(=O)O)CC1)C1CCC1.
What is the InChIKey of 1-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid?
The InChIKey is FQLCNOHLIUXFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-14(2,3)20-13(19)16(11-5-4-6-11)10-9-15(7-8-15)12(17)18/h11H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 1-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid?
1-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84812701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).